tert-butyl 2-oxidanyl-1-(4-phenylbutanoyl)-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 2-oxidanyl-1-(4-phenylbutanoyl)-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 2-hydroxy-1-(1-oxo-4-phenylbutyl)-3-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-hydroxy-1-(4-phenylbutanoyl)-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pyrrolidine-2-carboxylate Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C36H43N3O7 MolecularWeight: 629.74252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C36H43N3O7/c1-35(2,3)46-33(42)36(44)30(22-23-39(36)31(40)21-13-20-26-14-7-4-8-15-26)38-32(41)29(24-27-16-9-5-10-17-27)37-34(43)45-25-28-18-11-6-12-19-28/h4-12,14-19,29-30,44H,13,20-25H2,1-3H3,(H,37,43)(H,38,41)